2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol

C12H15N3O — CID 63182762

IUPAC2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol
SMILESOCC(NCc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C12H15N3O/c16-9-12(10-4-2-1-3-5-10)13-8-11-6-7-14-15-11/h1-7,12-13,16H,8-9H2,(H,14,15)
InChIKeyWYLZLRCILUKCTB-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.23
Rot. Bonds5

About 2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol

2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol (PubChem CID 63182762) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol
PubChem CID63182762
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol
SMILESOCC(NCc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C12H15N3O/c16-9-12(10-4-2-1-3-5-10)13-8-11-6-7-14-15-11/h1-7,12-13,16H,8-9H2,(H,14,15)
InChIKeyWYLZLRCILUKCTB-UHFFFAOYSA-N
XLogP1.23
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111467784
1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea
CID 110895797
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 113356359
2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol
CID 63182355
(2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol
CID 107862495
2-[(2-bromophenyl)methylamino]-2-phenylethanol
CID 6613037
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide
CID 107863427
2-[(2,6-dichlorophenyl)methylamino]-2-phenylethanol
CID 63182715
(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol
CID 107862127
(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
CID 107862266
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 61284688

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol?
The IUPAC name of 2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol (CID 63182762) is 2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol.
What is the SMILES notation for 2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol?
The canonical SMILES for 2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol is OCC(NCc1ccn[nH]1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol?
The InChIKey is WYLZLRCILUKCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-9-12(10-4-2-1-3-5-10)13-8-11-6-7-14-15-11/h1-7,12-13,16H,8-9H2,(H,14,15).
What are the key properties of 2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol?
2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol has a molecular weight of 217.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol is sourced from PubChem (CID 63182762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).